Structure

Basic information

Pretty formulaCa11YAl15Cr4SiO48
Full formulaCa11Y1Al15Cr4Si1O48
Tags
Constituent elementsAl; Ca; Cr; O; Si; Y;
Number of elements6
Number of sites80
Volume902.99336 Å3
Density3.56481 g/cm3
Source Materials Project

Space group

Spacegroup Number5
Hermann MauguinC2
HallC 2y
Crystal SystemMonoclinic

Lattice Parameters

a10.536 Å b10.536 Å c10.557 Å
α109.484° β109.384° γ109.463°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-573.06478 eV -7.16331 eV -3.11585 eV 0.01980 eV 2.00000 eV 0.10116 eV